Chemical Properties of Benzoic acid, 2,5-difluoro-4-nitro (CAS 116465-48-6)

InChI

InChI=1S/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)

InChI Key

GPTNSBLYGCZJQV-UHFFFAOYSA-N

Formula

C7H3F2NO4

SMILES

O=C(O)c1cc(F)c([N+](=O)[O-])cc1F

Molecular Weight¹

203.10

CAS

116465-48-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.56; 323.97]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.77900e+01
Coefficient B			5.85160e-01
Coefficient C			-3.70880e-04
Coefficient D			8.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.56	J/mol×K	273.00	Calculated Property
Cp,gas	192.01	J/mol×K	353.78	Calculated Property
Cp,gas	218.76	J/mol×K	434.56	Calculated Property
Cp,gas	242.06	J/mol×K	515.33	Calculated Property
Cp,gas	262.17	J/mol×K	596.11	Calculated Property
Cp,gas	279.35	J/mol×K	676.89	Calculated Property
Cp,gas	293.86	J/mol×K	757.67	Calculated Property
Cp,gas	305.96	J/mol×K	838.44	Calculated Property
Cp,gas	315.91	J/mol×K	919.22	Calculated Property
Cp,gas	323.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2,5-difluoro-4-nitro.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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